1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)

C136H120 — CID 159368011

About 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)

1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene) (PubChem CID 159368011) has the molecular formula C136H120 and a molecular weight of 1754.46 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene).

Molecular Properties

• Compound Name: 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)
• PubChem CID: 159368011
• Molecular Formula: C136H120
• Molecular Weight: 1754.46 g/mol
• Exact Mass: 1752.94
• IUPAC Name: 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)
• SMILES: Cc1cc(C)cc(-c2cccc(-c3ccc(-c4cc(C)cc(C)c4)c(-c4ccccc4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccc(-c4cccc(-c5cc(C)cc(C)c5)c4)cc3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccc(-c4cccc(-c5cc(C)cc(C)c5)c4)cc3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(C)cc(C)c4)c3)c2)c1
• InChI: InChI=1S/4C34H30/c2*1-23-15-24(2)18-33(17-23)31-9-5-7-29(21-31)27-11-13-28(14-12-27)30-8-6-10-32(22-30)34-19-25(3)16-26(4)20-34;1-23-15-24(2)18-31(17-23)27-9-7-11-29(21-27)33-13-5-6-14-34(33)30-12-8-10-28(22-30)32-19-25(3)16-26(4)20-32;1-23-15-24(2)18-31(17-23)29-12-8-11-28(21-29)30-13-14-33(32-19-25(3)16-26(4)20-32)34(22-30)27-9-6-5-7-10-27/h4*5-22H,1-4H3
• InChIKey: LJJLCSSPCBHPNI-UHFFFAOYSA-N
• XLogP: 38.35
• TPSA: 0.00 Ų
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1754.46
LogP ≤ 5	38.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)?

The IUPAC name of 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene) (CID 159368011) is 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene).

What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)?

The canonical SMILES for 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene) is Cc1cc(C)cc(-c2cccc(-c3ccc(-c4cc(C)cc(C)c4)c(-c4ccccc4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccc(-c4cccc(-c5cc(C)cc(C)c5)c4)cc3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccc(-c4cccc(-c5cc(C)cc(C)c5)c4)cc3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(C)cc(C)c4)c3)c2)c1.

What is the InChIKey of 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)?

The InChIKey is LJJLCSSPCBHPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C34H30/c2*1-23-15-24(2)18-33(17-23)31-9-5-7-29(21-31)27-11-13-28(14-12-27)30-8-6-10-32(22-30)34-19-25(3)16-26(4)20-34;1-23-15-24(2)18-31(17-23)27-9-7-11-29(21-27)33-13-5-6-14-34(33)30-12-8-10-28(22-30)32-19-25(3)16-26(4)20-32;1-23-15-24(2)18-31(17-23)29-12-8-11-28(21-29)30-13-14-33(32-19-25(3)16-26(4)20-32)34(22-30)27-9-6-5-7-10-27/h4*5-22H,1-4H3.

What are the key properties of 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)?

1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene) has a molecular weight of 1754.46 g/mol, XLogP of 38.35, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene) is sourced from PubChem (CID 159368011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).